HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=4623",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=4621",
"results": [
{
"id": "jvasp-40497",
"created_at": "2022-09-04T14:38:35.915372Z",
"updated_at": "2022-09-04T14:38:35.915399Z",
"structure_string": "Ta16 Ni8 C4\n1.0\n0.000000 5.840228 5.840228\n5.840228 0.000000 5.840228\n5.840228 5.840228 -0.000000\nTa Ni C\n16 8 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.191336 0.191336 0.558664 Ta\n0.558664 0.191336 0.191336 Ta\n0.191336 0.558664 0.558664 Ta\n0.191336 0.558664 0.191336 Ta\n0.558664 0.191336 0.558664 Ta\n0.808666 0.808666 0.441336 Ta\n0.808666 0.441336 0.808666 Ta\n0.558664 0.558664 0.191336 Ta\n0.441335 0.808666 0.441335 Ta\n0.441336 0.808666 0.808666 Ta\n0.808666 0.441335 0.441335 Ta\n0.000000 0.499999 0.000000 Ta\n0.499999 0.000000 0.000000 Ta\n0.000000 0.000000 0.499999 Ta\n0.441335 0.441335 0.808666 Ta\n0.117864 0.794046 0.794046 Ni\n0.794046 0.117864 0.794046 Ni\n0.794046 0.794046 0.117864 Ni\n0.794046 0.794046 0.794046 Ni\n0.882137 0.205954 0.205954 Ni\n0.205954 0.205954 0.882137 Ni\n0.205954 0.205954 0.205954 Ni\n0.205954 0.882137 0.205954 Ni\n0.999998 0.500000 0.500000 C\n0.500000 0.500000 0.500000 C\n0.500000 0.500000 0.999998 C\n0.500000 0.999998 0.500000 C\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"C"
],
"chemical_system": "C-Ni-Ta",
"density": 14.224432361415586,
"density_atomic": 0.07028111280522883,
"volume": 398.40006628234306,
"volume_molar": 8.568647421234285,
"formula_full": "Ta16 Ni8 C4",
"formula_reduced": "Ta4Ni2C",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.6374859428571416,
"spacegroup": 227
},
{
"id": "jvasp-59080",
"created_at": "2022-09-04T14:38:36.137118Z",
"updated_at": "2022-09-04T14:38:36.137141Z",
"structure_string": "Te6 Pd20\n1.0\n7.733847 0.000000 4.465138\n2.577949 7.291540 4.465138\n0.000000 0.000000 8.930277\nTe Pd\n6 20\ndirect\n0.625000 0.125000 0.625000 Te\n0.625000 0.625000 0.125000 Te\n0.625000 0.625000 0.625000 Te\n0.250000 0.250000 0.250000 Te\n0.000000 0.000000 0.000000 Te\n0.125000 0.625000 0.625000 Te\n0.507529 0.992472 0.507529 Pd\n0.992472 0.507528 0.992472 Pd\n0.992472 0.507528 0.507529 Pd\n0.507529 0.507528 0.992472 Pd\n0.992472 0.992472 0.507529 Pd\n0.507529 0.992472 0.992472 Pd\n0.742472 0.257528 0.742472 Pd\n0.365933 0.365932 0.365933 Pd\n0.742472 0.742472 0.257529 Pd\n0.257529 0.257528 0.742472 Pd\n0.742472 0.257528 0.257529 Pd\n0.884068 0.347796 0.884068 Pd\n0.347796 0.884068 0.884068 Pd\n0.884068 0.884068 0.347796 Pd\n0.884068 0.884068 0.884068 Pd\n0.365933 0.902204 0.365933 Pd\n0.902204 0.365932 0.365933 Pd\n0.365933 0.365932 0.902204 Pd\n0.257529 0.742472 0.742472 Pd\n0.257529 0.742472 0.257529 Pd\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Te",
"Pd"
],
"chemical_system": "Pd-Te",
"density": 9.542624954793848,
"density_atomic": 0.05162898405858434,
"volume": 503.59309744498034,
"volume_molar": 11.664263532992567,
"formula_full": "Te6 Pd20",
"formula_reduced": "Te3Pd10",
"formula_anonymous": "A3B10",
"energy_above_hull": 1.8270677153846155,
"spacegroup": 227
},
{
"id": "jvasp-20802",
"created_at": "2022-09-04T14:38:36.652191Z",
"updated_at": "2022-09-04T14:38:36.652212Z",
"structure_string": "Hf16 Fe8\n1.0\n7.309634 -0.000000 4.220219\n2.436544 6.891589 4.220219\n0.000000 -0.000000 8.440438\nHf Fe\n16 8\ndirect\n0.500000 0.000000 0.500000 Hf\n0.687100 0.062900 0.687101 Hf\n0.687100 0.687101 0.062900 Hf\n0.062899 0.062900 0.687101 Hf\n0.062899 0.687101 0.062900 Hf\n0.312899 0.937101 0.312900 Hf\n0.937100 0.312900 0.937101 Hf\n0.937100 0.312900 0.312900 Hf\n0.312899 0.312900 0.937101 Hf\n0.937099 0.937101 0.312900 Hf\n0.687100 0.062900 0.062900 Hf\n0.062899 0.687101 0.687101 Hf\n-0.000000 0.500000 0.500000 Hf\n0.499999 0.500000 0.000000 Hf\n0.499999 0.500000 0.500000 Hf\n0.312899 0.937101 0.937101 Hf\n0.282744 0.282744 0.282745 Fe\n0.717255 0.717256 0.348234 Fe\n0.717255 0.348233 0.717256 Fe\n0.348232 0.717256 0.717256 Fe\n0.282744 0.651767 0.282745 Fe\n0.651766 0.282744 0.282745 Fe\n0.282744 0.282744 0.651767 Fe\n0.717255 0.717256 0.717256 Fe\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Hf",
"Fe"
],
"chemical_system": "Fe-Hf",
"density": 12.898080669181587,
"density_atomic": 0.05644575111765687,
"volume": 425.187007432567,
"volume_molar": 10.668900033675353,
"formula_full": "Hf16 Fe8",
"formula_reduced": "Hf2Fe",
"formula_anonymous": "AB2",
"energy_above_hull": 4.1854405,
"spacegroup": 227
},
{
"id": "jvasp-59507",
"created_at": "2022-09-04T14:38:36.489853Z",
"updated_at": "2022-09-04T14:38:36.489876Z",
"structure_string": "Sm4 Ru4 O14\n1.0\n6.313969 -0.000000 3.645372\n2.104656 5.952867 3.645372\n-0.000000 0.000000 7.290744\nSm Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.499999 Sm\n0.000000 0.500000 0.499999 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 -0.000001 Sm\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.330927 0.919074 0.330926 O\n0.919074 0.330927 0.919072 O\n0.919074 0.330927 0.330926 O\n0.625000 0.625000 0.624999 O\n0.669074 0.080927 0.080926 O\n0.080927 0.669074 0.080926 O\n0.080927 0.080927 0.669073 O\n0.669074 0.669074 0.080926 O\n0.669074 0.080927 0.669073 O\n0.330927 0.919074 0.919072 O\n0.080927 0.669074 0.669073 O\n0.375000 0.375000 0.374999 O\n0.919074 0.919074 0.330926 O\n0.330927 0.330927 0.919073 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Ru",
"O"
],
"chemical_system": "O-Ru-Sm",
"density": 7.451640480127251,
"density_atomic": 0.08028274380386893,
"volume": 274.0314911725749,
"volume_molar": 7.501164602336106,
"formula_full": "Sm4 Ru4 O14",
"formula_reduced": "Sm2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.968944840909091,
"spacegroup": 227
},
{
"id": "jvasp-49288",
"created_at": "2022-09-04T14:38:36.565339Z",
"updated_at": "2022-09-04T14:38:36.565365Z",
"structure_string": "Nd4 Sn4 O14\n1.0\n6.547991 0.000000 3.780484\n2.182663 6.173505 3.780484\n0.000000 0.000000 7.560968\nNd Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Nd\n-0.000000 0.500000 0.500000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.500000 0.500000 -0.000001 Nd\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 -0.000000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.084150 0.665850 0.084150 O\n0.665849 0.084151 0.665849 O\n0.665849 0.084151 0.084150 O\n0.624999 0.625001 0.624999 O\n0.915849 0.334151 0.334150 O\n0.334150 0.915850 0.334150 O\n0.334150 0.334151 0.915849 O\n0.915848 0.915850 0.334150 O\n0.915849 0.334151 0.915849 O\n0.084150 0.665850 0.665849 O\n0.334150 0.915850 0.915849 O\n0.375000 0.375000 0.375000 O\n0.665849 0.665850 0.084150 O\n0.084151 0.084151 0.665849 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"O"
],
"chemical_system": "Nd-O-Sn",
"density": 6.9312933719227745,
"density_atomic": 0.07197893271623339,
"volume": 305.64498763453247,
"volume_molar": 8.366532446016427,
"formula_full": "Nd4 Sn4 O14",
"formula_reduced": "Nd2Sn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.059958263636364,
"spacegroup": 227
},
{
"id": "jvasp-59877",
"created_at": "2022-09-04T14:38:36.813402Z",
"updated_at": "2022-09-04T14:38:36.813423Z",
"structure_string": "Li2 V4 S8\n1.0\n6.245671 0.000000 -3.279057\n-1.721547 6.003723 -3.279057\n-0.287197 -0.381123 7.040616\nLi V S\n2 4 8\ndirect\n0.375000 0.625001 0.750000 Li\n0.624999 0.375000 0.250000 Li\n-0.000000 0.500001 0.000001 V\n0.000001 0.000000 0.500000 V\n0.500001 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.758142 0.774119 0.516285 S\n0.757832 0.241859 0.983715 S\n0.225882 0.241859 0.983715 S\n0.241857 0.225882 0.483714 S\n0.241856 0.757831 0.483713 S\n0.242167 0.758142 0.016285 S\n0.758142 0.242168 0.516285 S\n0.774117 0.758142 0.016284 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"V",
"S"
],
"chemical_system": "Li-S-V",
"density": 3.169871375873238,
"density_atomic": 0.05636225192860032,
"volume": 248.39319794629915,
"volume_molar": 10.684705727565404,
"formula_full": "Li2 V4 S8",
"formula_reduced": "Li(VS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6184569142857144,
"spacegroup": 227
},
{
"id": "jvasp-59875",
"created_at": "2022-09-04T14:38:36.629106Z",
"updated_at": "2022-09-04T14:38:36.629137Z",
"structure_string": "Li2 Cr4 S8\n1.0\n6.222700 -0.000000 -3.266997\n-1.715214 5.981642 -3.266997\n-0.287595 -0.381654 7.011948\nLi Cr S\n2 4 8\ndirect\n0.375001 0.625001 0.750000 Li\n0.624999 0.375000 0.250000 Li\n0.000000 0.500001 0.000001 Cr\n0.000001 0.000000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.760022 0.780071 0.520045 S\n0.760026 0.239980 0.979957 S\n0.219930 0.239980 0.979956 S\n0.239978 0.219930 0.479956 S\n0.239978 0.760025 0.479955 S\n0.239974 0.760021 0.020045 S\n0.760021 0.239974 0.520044 S\n0.780070 0.760021 0.020044 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cr",
"S"
],
"chemical_system": "Cr-Li-S",
"density": 3.2360139588788495,
"density_atomic": 0.057030936071340986,
"volume": 245.4808033044935,
"volume_molar": 10.559428224125234,
"formula_full": "Li2 Cr4 S8",
"formula_reduced": "Li(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7819306857142863,
"spacegroup": 227
},
{
"id": "jvasp-112386",
"created_at": "2022-09-04T14:38:40.009144Z",
"updated_at": "2022-09-04T14:38:40.009171Z",
"structure_string": "Na2 Cr4 S8\n1.0\n6.324016 -0.000000 3.651172\n2.108005 5.962339 3.651172\n-0.000000 -0.000000 7.302345\nNa Cr S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n0.625001 0.625000 0.624999 Cr\n0.125001 0.625000 0.624999 Cr\n0.625000 0.125000 0.624999 Cr\n0.625001 0.625000 0.124999 Cr\n0.857067 0.857066 0.857064 S\n0.821200 0.392934 0.392933 S\n0.392934 0.392934 0.821198 S\n0.392935 0.821199 0.392933 S\n0.857067 0.857066 0.428799 S\n0.857067 0.428801 0.857065 S\n0.392934 0.392934 0.392933 S\n0.428802 0.857066 0.857065 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Cr",
"S"
],
"chemical_system": "Cr-Na-S",
"density": 3.0786421239126227,
"density_atomic": 0.050845914545327345,
"volume": 275.3416892033576,
"volume_molar": 11.843902924848512,
"formula_full": "Na2 Cr4 S8",
"formula_reduced": "Na(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5693534,
"spacegroup": 227
},
{
"id": "jvasp-111839",
"created_at": "2022-09-04T14:38:39.099634Z",
"updated_at": "2022-09-04T14:38:39.099656Z",
"structure_string": "Tb4 Mg2 Se8\n1.0\n7.138753 -0.000000 4.121561\n2.379585 6.730481 4.121561\n0.000000 0.000000 8.243123\nTb Mg Se\n4 2 8\ndirect\n0.625000 0.125000 0.625000 Tb\n0.624999 0.625000 0.125000 Tb\n0.125000 0.625000 0.625000 Tb\n0.624999 0.625000 0.625000 Tb\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.378957 0.378958 0.378958 Se\n0.863127 0.378958 0.378958 Se\n0.378957 0.863127 0.378958 Se\n0.378957 0.378958 0.863127 Se\n0.871041 0.871042 0.386873 Se\n0.871041 0.386873 0.871042 Se\n0.386872 0.871042 0.871042 Se\n0.871041 0.871042 0.871042 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Tb",
"density": 5.517494515555809,
"density_atomic": 0.03534824017646525,
"volume": 396.0593209197769,
"volume_molar": 17.036606999206494,
"formula_full": "Tb4 Mg2 Se8",
"formula_reduced": "Tb2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9813441880952384,
"spacegroup": 227
},
{
"id": "jvasp-111616",
"created_at": "2022-09-04T14:38:40.685591Z",
"updated_at": "2022-09-04T14:38:40.685629Z",
"structure_string": "Dy4 Cd2 Te8\n1.0\n7.702464 0.000000 4.447019\n2.567488 7.261953 4.447019\n0.000000 0.000000 8.894040\nDy Cd Te\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Dy\n0.625000 0.125000 0.625000 Dy\n0.625000 0.625000 0.125000 Dy\n0.625000 0.625000 0.625000 Dy\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.857666 0.380778 0.380779 Te\n0.380779 0.857666 0.380779 Te\n0.380778 0.380778 0.857666 Te\n0.380778 0.380778 0.380779 Te\n0.392334 0.869221 0.869222 Te\n0.869221 0.392334 0.869222 Te\n0.869222 0.869221 0.392334 Te\n0.869222 0.869221 0.869222 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Dy",
"Cd",
"Te"
],
"chemical_system": "Cd-Dy-Te",
"density": 6.3273032361144494,
"density_atomic": 0.02814140953478789,
"volume": 497.48751862245774,
"volume_molar": 21.399570453482585,
"formula_full": "Dy4 Cd2 Te8",
"formula_reduced": "Dy2CdTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5836262595238093,
"spacegroup": 227
},
{
"id": "jvasp-111687",
"created_at": "2022-09-04T14:38:40.986543Z",
"updated_at": "2022-09-04T14:38:40.986576Z",
"structure_string": "Al12 Fe8 Si4\n1.0\n6.598257 -0.000000 3.809505\n2.199419 6.220896 3.809505\n-0.000000 -0.000000 7.619010\nAl Fe Si\n12 8 4\ndirect\n0.799313 0.799313 0.200688 Al\n0.049313 0.450688 0.450687 Al\n0.049313 0.450688 0.049313 Al\n0.450687 0.049313 0.450687 Al\n0.049313 0.049313 0.450687 Al\n0.450687 0.450688 0.049313 Al\n0.450687 0.049313 0.049313 Al\n0.200687 0.799313 0.799313 Al\n0.200687 0.799313 0.200688 Al\n0.799313 0.200687 0.799313 Al\n0.200687 0.200687 0.799313 Al\n0.799313 0.200687 0.200688 Al\n0.840715 0.840715 0.840715 Fe\n0.840715 0.840715 0.477858 Fe\n0.840715 0.477858 0.840715 Fe\n0.477857 0.840715 0.840715 Fe\n0.409286 0.409286 0.409286 Fe\n0.409286 0.772143 0.409286 Fe\n0.772143 0.409286 0.409286 Fe\n0.409286 0.409286 0.772143 Fe\n0.625000 0.625000 0.125000 Si\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.625000 Si\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Si"
],
"chemical_system": "Al-Fe-Si",
"density": 4.687813144270441,
"density_atomic": 0.07674154352123813,
"volume": 312.7380412065601,
"volume_molar": 7.847302104802438,
"formula_full": "Al12 Fe8 Si4",
"formula_reduced": "Al3Fe2Si",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.720018,
"spacegroup": 227
},
{
"id": "jvasp-111712",
"created_at": "2022-09-04T14:38:41.084333Z",
"updated_at": "2022-09-04T14:38:41.084370Z",
"structure_string": "Zr12 Fe12 C4\n1.0\n7.236857 0.000000 4.178202\n2.412285 6.822975 4.178202\n0.000000 0.000000 8.356404\nZr Fe C\n12 12 4\ndirect\n0.800202 0.800202 0.199798 Zr\n0.449799 0.050201 0.050201 Zr\n0.050202 0.449799 0.449798 Zr\n0.050202 0.449799 0.050201 Zr\n0.050201 0.050201 0.449798 Zr\n0.449799 0.449799 0.050201 Zr\n0.449799 0.050201 0.449798 Zr\n0.199799 0.800202 0.800200 Zr\n0.199799 0.800202 0.199798 Zr\n0.800202 0.199799 0.800201 Zr\n0.199799 0.199799 0.800201 Zr\n0.800202 0.199799 0.199798 Zr\n0.427813 0.427813 0.427812 Fe\n0.822188 0.822188 0.822186 Fe\n0.822188 0.822188 0.533436 Fe\n0.822188 0.533438 0.822186 Fe\n0.533438 0.822188 0.822186 Fe\n0.427813 0.427813 0.716562 Fe\n0.625000 0.125000 0.624999 Fe\n0.716563 0.427813 0.427812 Fe\n0.625000 0.625000 0.624999 Fe\n0.625000 0.625000 0.124999 Fe\n0.125000 0.625000 0.624999 Fe\n0.427813 0.716563 0.427812 Fe\n0.125000 0.125000 0.625000 C\n0.625000 0.125000 0.125000 C\n0.125000 0.625000 0.124999 C\n0.125000 0.125000 0.125000 C\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"C"
],
"chemical_system": "C-Fe-Zr",
"density": 7.295797174199879,
"density_atomic": 0.06786015261151043,
"volume": 412.613277784622,
"volume_molar": 8.874340136657054,
"formula_full": "Zr12 Fe12 C4",
"formula_reduced": "Zr3Fe3C",
"formula_anonymous": "AB3C3",
"energy_above_hull": 4.715417142857143,
"spacegroup": 227
}
]
}